9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum

C47H45N5OPt-2 — CID 171765815

About 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 171765815) has the molecular formula C47H45N5OPt-2 and a molecular weight of 894.01 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum
• PubChem CID: 171765815
• Molecular Formula: C47H45N5OPt-2
• Molecular Weight: 894.01 g/mol
• Exact Mass: 893.35
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum
• SMILES: [2H]C(C)(C)C([2H])([2H])c1cccc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cnc3)c3ccc(C(C)(C)C)cc32)c1.[Pt]
• InChI: InChI=1S/C47H45N5O.Pt/c1-31(2)22-32-12-11-13-35(23-32)50-30-51(42-19-16-33(24-44(42)50)46(3,4)5)36-26-38(29-48-28-36)53-37-17-18-40-39-14-9-10-15-41(39)52(43(40)27-37)45-25-34(20-21-49-45)47(6,7)8;/h9-21,23-25,28-29,31H,22H2,1-8H3;/q-2;/i22D2,31D
• InChIKey: RZCVFTRWRFDPAE-WECIPTKFSA-N
• XLogP: 10.78
• TPSA: 48.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.01
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum (CID 171765815) is 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum is [2H]C(C)(C)C([2H])([2H])c1cccc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cnc3)c3ccc(C(C)(C)C)cc32)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum?

The InChIKey is RZCVFTRWRFDPAE-WECIPTKFSA-N. The full InChI is InChI=1S/C47H45N5O.Pt/c1-31(2)22-32-12-11-13-35(23-32)50-30-51(42-19-16-33(24-44(42)50)46(3,4)5)36-26-38(29-48-28-36)53-37-17-18-40-39-14-9-10-15-41(39)52(43(40)27-37)45-25-34(20-21-49-45)47(6,7)8;/h9-21,23-25,28-29,31H,22H2,1-8H3;/q-2;/i22D2,31D;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 894.01 g/mol, XLogP of 10.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[5-[5-tert-butyl-3-[3-(1,1,2-trideuterio-2-methylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-4H-pyridin-4-id-3-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171765815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).